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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL514302
Molecular formula	C20H27N2O6P
IUPAC name	[(2S)-2-amino-2-methyl-3-oxo-3-[4-(4-phenylbutoxy)anilino]propyl] dihydrogen phosphate
Molecular weight	422.418
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	-1.0
Synonyms	BDBM50249113 SCHEMBL4610985 (S)-2-amino-2-methyl-3-oxo-3-(4-(4-phenylbutoxy)phenylamino)propyl dihydrogen phosphate
Inchi Key	BWCQGMDWAWERIV-FQEVSTJZSA-N
Inchi ID	InChI=1S/C20H27N2O6P/c1-20(21,15-28-29(24,25)26)19(23)22-17-10-12-18(13-11-17)27-14-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,10-13H,5-6,9,14-15,21H2,1H3,(H,22,23)(H2,24,25,26)/t20-/m0/s1
PubChem CID	44565596
ChEMBL	CHEMBL514302
IUPHAR	N/A
BindingDB	50249113
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
34331	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
34330	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378
34332	Sphingosine 1-phosphate receptor 4	O95977	S1PR4	Homo sapiens (Human)	384
34329	Sphingosine 1-phosphate receptor 5	Q9H228	S1PR5	Homo sapiens (Human)	398

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